Methanesulfonic acid,1,1,1-trifluoro-, barium salt (2:1) (2794-60-7)

The Barium trifluoromethanesulfonate, with the CAS registry number 2794-60-7 and EINECS registry number 220-526-6, has the systematic name of barium bis(trifluoromethanesulfonate). The molecular formula of the chemical is C₂BaF₆O₆S₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: -0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.87; (4)ACD/LogD (pH 7.4): -3.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 62.75 Å²; (13)Boiling Point: 162 °C at 760 mmHg; (14)Vapour Pressure: 1.14 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation and if swallowed. Therefore, if in case of contacting with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Ba+2].FC(F)(F)S([O-])(=O)=O.FC(F)(F)S([O-])(=O)=O
(2)InChI: InChI=1/2CHF3O3S.Ba/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
(3)InChIKey: DXJURUJRANOYMX-NUQVWONBAP